Acta Cryst. (2008). E64, i34  [ doi:10.1107/S1600536808013925 ]

A monoclinic polymorph of KY(PO₃)₄

K. Horchani-Naifer, A. Jouini and M. Férid

Online 17 May 2008

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (P-O) = 0.006 Å
• R factor = 0.048
• wR factor = 0.138
• Data-to-parameter ratio = 12.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT395_ALERT_2_C Deviating  X-O-Y  Angle from 120 Deg for      O7     147.40 Deg. 

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           27.49
           From the CIF: _reflns_number_total               2011
           Count of symmetry unique reflns         1157
           Completeness (_total/calc)            173.81%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured       854
           Fraction of Friedel pairs measured     0.738
           Are heavy atom types Z>Si present        yes

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   1 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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